SCHEMBL6689870

SCHEMBL6689870

OCCCCCOCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.34
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6691974 0.92 POLB (0.46) POLBGAAALDH1A1KDM4EL3MBTL1
SCHEMBL6693141 0.84 POLB (0.58) POLBGAAALDH1A1KDM4EL3MBTL1
SCHEMBL6689868 0.81 EPHX2 (0.35) POLBGAAALDH1A1KDM4EEPHX2
SCHEMBL6684519 0.80 HRH3 (0.33) GAAALDH1A1HTT
SCHEMBL3312644 0.79 ALDH1A1 (0.47) POLBALDH1A1KDM4EUSP2SMN1; SMN2
SCHEMBL3305208 0.77 ALDH1A1 (0.53) POLBALDH1A1USP2SMN1; SMN2HTT
SCHEMBL6691972 0.77 KEAP1 (0.36) POLBGAAALDH1A1KDM4EL3MBTL1
SCHEMBL6690289 0.76 KDM4E (0.46) POLBGAAALDH1A1KDM4EL3MBTL1
SCHEMBL16233070 0.76 ALDH1A1 (0.38) GAAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL18024017 0.76 KDM4E (0.53) POLBGAAALDH1A1KDM4EUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 WO disclosed